!#Example 1: LJ fcc structure at low temperature

! ======================================================================
! main parameters
! ======================================================================
&controltag
  calc          = 'md'      ! md calculation
 lstatic   = .true.
 lbmlj     = .false.
 lcoulomb  = .true.
! longrange = 'direct'
 longrange='ewald'
 lreduced = .false.
&end
! ======================================================================
! parameters for the molecular dynamics 
! ======================================================================
&mdtag
        integrator    = 'nve-vv'  
        npas          = 1000      ! md steps
        dt            = 0.001     ! time step 
        temp          = 0.8       ! temperature  
        nprint        = 100       ! printing info each nprint
        fprint        = 1         ! printing info to OSZIFF
        nequil        = 10        ! equilibration for nequil steps
        nequil_period = 1         ! period of rescaling 
        ltraj         = .false.   
&end
! ======================================================================
! parameters for the force-field 
! ======================================================================
&fieldtag
        !epsAA         = 1.0d0     ! lennard-jones potential
        !sigmaAA       = 1.0d0     ! lennard-jones potential
!ncelldirect=1
ncellewald=24
alphaES=0.01
qch(1)=  1.0 
qch(2)=  -1.0
!qch(1)=  1.0
!qch(2)= -1.0
!qch(3)= -1.0
!qch(4)=  1.0
&end
! ======================================================================
! parameters for the configuration (only really used if the configuration
! is generated by the code. 
! ======================================================================
&configtag
!        lgenconf      = .false.   ! reading configuration in POSFF 
  lfcc =.true.
  ntype=2
  struct='NaCl'
  ncell=1
  box=1.0d0
  !rho =1.0d0
&end
! ======================================================================
! no properties yet
! ======================================================================
&proptag 
&end
